1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)

C8H9NW — CID 20750403

IUPAC1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
SMILESCC(=[N-])C1=[C-]CCC=C1.[W+2]
InChIInChI=1S/C8H9N.W/c1-7(9)8-5-3-2-4-6-8;/h3,5H,2,4H2,1H3;/q-2;+2
InChIKeyXYTMSMFGXDUOCB-UHFFFAOYSA-N
MW303.01 g/mol
LogP2.09
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)

1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+) (PubChem CID 20750403) has the molecular formula C8H9NW and a molecular weight of 303.01 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+).

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
PubChem CID20750403
Molecular FormulaC8H9NW
Molecular Weight303.01 g/mol
Exact Mass303.02
IUPAC Name1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
SMILESCC(=[N-])C1=[C-]CCC=C1.[W+2]
InChIInChI=1S/C8H9N.W/c1-7(9)8-5-3-2-4-6-8;/h3,5H,2,4H2,1H3;/q-2;+2
InChIKeyXYTMSMFGXDUOCB-UHFFFAOYSA-N
XLogP2.09
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.01
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Fluoro-{2h-inden-2-yliden)azane
CID 129669104
2-Methylindol-2-ylium
CID 57054412
Trimethyl 2h indol
CID 101318478
6-Fluoro-2,3,5-trimethyl-1,2-benzazaindigole
CID 143308565
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
2-methyl-5H-indole
CID 18732311
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
1-Phenylethylideneazanide;tungsten(2+)
CID 20737701
1-Cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)
CID 20750401
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
3-methyl-2H-indole
CID 20767131
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+) (CID 20750403) is 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+).
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+) is CC(=[N-])C1=[C-]CCC=C1.[W+2].
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)?
The InChIKey is XYTMSMFGXDUOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.W/c1-7(9)8-5-3-2-4-6-8;/h3,5H,2,4H2,1H3;/q-2;+2.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+)?
1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+) has a molecular weight of 303.01 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylethylideneazanide;tungsten(2+) is sourced from PubChem (CID 20750403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).